methyl N'-phenyl-N-pyridin-3-yl-carbamimidothioate

Systemtic Name: methyl N'-phenyl-N-pyridin-3-yl-carbamimidothioate Openeye Name: 2-methyl-3-phenyl-1-(3-pyridyl)isothiourea CAS Name: N'-phenyl-N-(3-pyridinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-phenyl-N-pyridin-3-ylcarbamimidothioate Traditional Name: 2-methyl-3-phenyl-1-(3-pyridyl)isothiourea Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)NC2=CN=CC=C2

Isomeric SMILES

CSC(=NC1=CC=CC=C1)NC2=CN=CC=C2

InChI

InChI=1S/C13H13N3S/c1-17-13(15-11-6-3-2-4-7-11)16-12-8-5-9-14-10-12/h2-10H,1H3,(H,15,16)